CID 45753978
PubChem CID
45753978
Structure
Molecular Formula
Status
Non-live
Molecular Weight
407.4 g/mol
Dates
- Create:2010-06-21
Chemical Structure Depiction
N-[(4-carbamoylphenyl)methyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
InChI=1S/C22H21N3O5/c23-19(26)14-5-3-13(4-6-14)11-24-20(27)15-7-8-17-18(10-15)22(29)25(21(17)28)12-16-2-1-9-30-16/h3-8,10,16H,1-2,9,11-12H2,(H2,23,26)(H,24,27)
ZTPRASOXMMNEMR-UHFFFAOYSA-N
C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)C(=O)N
C22H21N3O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
407.4 g/mol
Property Name
XLogP3-AA
Property Value
1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
407.14812078 g/mol
Property Name
Monoisotopic Mass
Property Value
407.14812078 g/mol
Property Name
Topological Polar Surface Area
Property Value
119 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
703
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS